7-Mercapto-4-Methylcoumarin

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Properties Simple | Detailed

Formula C10H9O2S+
IUPAC Name 4-methyl-7-sulfanyl-chromen-2-one
Molecular Mass 193.242 g·mol−1
Heat of Formation -198.4 ± 16.7 kJ·mol−1
Dipole Moment 4.12 ± 1.08 D
Volume 216.18 Å 3
Surface Area 209.51 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry Cs
Synonyms
  • 4-methyl-7-sulfanylchromen-2-one
  • 4-methyl-7-thioumbelliferone
  • 7-mercapto-4-methyl-2-chromenone
  • 7-mercapto-4-methyl-coumarin
InChIKey BYDNGJQDDNBAHI-UHFFFAOYSA-N
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